Benzoic acid, 2-ethoxy-3-methoxy-, 2-piperidinoethyl ester, hydrochloride

C17H26ClNO4 — CID 45611

About Benzoic acid, 2-ethoxy-3-methoxy-, 2-piperidinoethyl ester, hydrochloride

Benzoic acid, 2-ethoxy-3-methoxy-, 2-piperidinoethyl ester, hydrochloride (PubChem CID 45611) has the molecular formula C17H26ClNO4 and a molecular weight of 343.80 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylethyl 2-ethoxy-3-methoxybenzoate chloride.

Molecular Properties

• Compound Name: Benzoic acid, 2-ethoxy-3-methoxy-, 2-piperidinoethyl ester, hydrochloride
• PubChem CID: 45611
• Molecular Formula: C17H26ClNO4
• Molecular Weight: 343.80 g/mol
• Exact Mass: 343.16
• IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-ethoxy-3-methoxybenzoate chloride
• SMILES: CCOC1=C(C=CC=C1OC)C(=O)OCC[NH+]2CCCCC2.[Cl-]
• InChIKey: NSSKAGXFUVOOHA-UHFFFAOYSA-N
• XLogP: N/A
• TPSA: 49.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: 331

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5